| SpectraBase Compound ID | 6PcZeavtLf1 |
|---|---|
| InChI | InChI=1S/C57H97ClN12O15/c1-12-35(58)23-20-18-16-14-15-17-19-22-32(7)45-48(75)55(82)66-44(31(5)6)52(79)62-36(13-2)50(77)68-46(33(8)71)54(81)65-43(30(3)4)53(80)63-37(25-26-40(59)72)49(76)61-29-42(74)64-47(34(9)85-11)57(84)69(10)39(28-41(60)73)56(83)70-27-21-24-38(70)51(78)67-45/h13,30-35,37-39,43-48,71,75H,12,14-29H2,1-11H3,(H2,59,72)(H2,60,73)(H,61,76)(H,62,79)(H,63,80)(H,64,74)(H,65,81)(H,66,82)(H,67,78)(H,68,77)/b36-13- |
| InChIKey | QEQPUTKQRURHAG-FPWVPGCSSA-N |
| Mol Weight | 1225.9 g/mol |
| Molecular Formula | C57H97ClN12O15 |
| Exact Mass | 1224.688488 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IEKmRLHKnmt |
|---|---|
| Name | PUWAINAPHYCIN-D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H97ClN12O15 |
| InChI | InChI=1S/C57H97ClN12O15/c1-12-35(58)23-20-18-16-14-15-17-19-22-32(7)45-48(75)55(82)66-44(31(5)6)52(79)62-36(13-2)50(77)68-46(33(8)71)54(81)65-43(30(3)4)53(80)63-37(25-26-40(59)72)49(76)61-29-42(74)64-47(34(9)85-11)57(84)69(10)39(28-41(60)73)56(83)70-27-21-24-38(70)51(78)67-45/h13,30-35,37-39,43-48,71,75H,12,14-29H2,1-11H3,(H2,59,72)(H2,60,73)(H,61,76)(H,62,79)(H,63,80)(H,64,74)(H,65,81)(H,66,82)(H,67,78)(H,68,77)/b36-13- |
| InChIKey | QEQPUTKQRURHAG-FPWVPGCSSA-N |
| Literature Reference Author | R.E.MOORE,V.BORNEMANN,W.P.NIEMCZURA,J.M.GREGSON,J.L.CHEN,T.R .NORTON,G.M.L.PATTER |
| Literature Reference Citation | J.AM.CHEM.SOC.,111,6128(1989) |
| Literature Reference DOI | 10.1021/ja00198a021 |
| Molecular Weight | 1225.922 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWED15196 |